6-chloranyl-4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C21H21Cl2N2O2+ MolecularWeight: 404.30964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=C4Cl)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=C4Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O2/c1-14-10-20-16(12-18(14)23)15(11-21(26)27-20)13-24-6-8-25(9-7-24)19-5-3-2-4-17(19)22/h2-5,10-12H,6-9,13H2,1H3/p+1